2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

C21H19N3O4S — CID 1004339

IUPAC2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2ccc(C#N)c(SCC(=O)NCc3ccco3)n2)cc1OC
InChIInChI=1S/C21H19N3O4S/c1-26-18-8-6-14(10-19(18)27-2)17-7-5-15(11-22)21(24-17)29-13-20(25)23-12-16-4-3-9-28-16/h3-10H,12-13H2,1-2H3,(H,23,25)
InChIKeyRJPBPYIQAXBWNN-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.64
Rot. Bonds8

About 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 1004339) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID1004339
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2ccc(C#N)c(SCC(=O)NCc3ccco3)n2)cc1OC
InChIInChI=1S/C21H19N3O4S/c1-26-18-8-6-14(10-19(18)27-2)17-7-5-15(11-22)21(24-17)29-13-20(25)23-12-16-4-3-9-28-16/h3-10H,12-13H2,1-2H3,(H,23,25)
InChIKeyRJPBPYIQAXBWNN-UHFFFAOYSA-N
XLogP3.64
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]thio}-N-(2-furylmethyl)acetamide
CID 672043
2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-ylpyridin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 644742
2-((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
CID 646481
2-(3-Cyano-7-methyl-quinolin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 651442
5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carboxamide
CID 664147
2-{[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl}-N-cyclopropylacetamide
CID 1002458
2-[[3-cyano-6-(2-furanyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N,N-diethylacetamide
CID 1086432
2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio}-N-(2-furylmethyl)acetamide
CID 1166022
2-{[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl}-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 1201823
2-(3-Cyano-6-methyl-quinolin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 654954
2-Benzylsulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile
CID 666027
2-{[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
CID 1004321

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 1004339) is 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is COc1ccc(-c2ccc(C#N)c(SCC(=O)NCc3ccco3)n2)cc1OC.
What is the InChIKey of 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is RJPBPYIQAXBWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-26-18-8-6-14(10-19(18)27-2)17-7-5-15(11-22)21(24-17)29-13-20(25)23-12-16-4-3-9-28-16/h3-10H,12-13H2,1-2H3,(H,23,25).
What are the key properties of 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 409.47 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1004339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).